[1-azaniumyl-3-(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)propylidene]azanium dichloride

Systemtic Name: [1-azaniumyl-3-(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)propylidene]azanium dichloride Openeye Name: [1-azaniumyl-3-(4-ethoxycarbonyl-4-phenyl-1-piperidyl)propylidene]ammonium dichloride CAS Name: [1-ammonio-3-(4-ethoxycarbonyl-4-phenyl-1-piperidinyl)propylidene]ammonium dichloride IUPAC Name: [1-azaniumyl-3-(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)propylidene]azanium dichloride Traditional Name: [1-ammonio-3-(4-carbethoxy-4-phenyl-piperidino)propylidene]ammonium dichloride Formula: C17H27Cl2N3O2 MolecularWeight: 376.32118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCC(=[NH2+])[NH3+])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCC(=[NH2+])[NH3+])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C17H25N3O2.2ClH/c1-2-22-16(21)17(14-6-4-3-5-7-14)9-12-20(13-10-17)11-8-15(18)19;;/h3-7H,2,8-13H2,1H3,(H3,18,19);2*1H